ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate

C20H20O2 — CID 124637634

IUPACethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate
SMILESCCOC(=O)/C(=C/c1ccc2c(c1)Cc1ccccc1-2)CC
InChIInChI=1S/C20H20O2/c1-3-15(20(21)22-4-2)11-14-9-10-19-17(12-14)13-16-7-5-6-8-18(16)19/h5-12H,3-4,13H2,1-2H3/b15-11+
InChIKeyLDXGURQUZPUSER-RVDMUPIBSA-N
MW292.38 g/mol
LogP4.61
Rot. Bonds4

About ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate

ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate (PubChem CID 124637634) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate.

Molecular Properties

Compound Nameethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate
PubChem CID124637634
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Nameethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate
SMILESCCOC(=O)/C(=C/c1ccc2c(c1)Cc1ccccc1-2)CC
InChIInChI=1S/C20H20O2/c1-3-15(20(21)22-4-2)11-14-9-10-19-17(12-14)13-16-7-5-6-8-18(16)19/h5-12H,3-4,13H2,1-2H3/b15-11+
InChIKeyLDXGURQUZPUSER-RVDMUPIBSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-amino-3-(9H-fluoren-2-yl)propanoate
CID 171213682
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
9H-fluorene;propanoic acid
CID 67831567
ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
CID 70243578
10H-anthracen-9-one;benzo[f][2]benzofuran-1,3-dione;1,1'-biphenyl;bis(carbon dioxide);ethane;ethyl (2E)-2-[(4-hydroxy-3-methylphenyl)methylidene]butanoate;ethyl (2E)-2-[(4-hydroxyphenyl)methylidene]butanoate;fluoren-9-one;naphthalene;2-propan-2-yl-10H-anthracen-9-one
CID 158691119
ethyl (2E)-2-[(2-formylphenyl)methylidene]butanoate
CID 57427552
9H-fluorene-2-carbaldehyde;N-methylhydroxylamine
CID 156719252
2-(9H-fluoren-2-ylmethylidene)propanedinitrile
CID 134159255
ethyl (2E)-2-[(4-nitrophenyl)methylidene]butanoate
CID 134855129
ethane;9H-fluorene;propanoic acid
CID 90836645

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate?
The IUPAC name of ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate (CID 124637634) is ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate.
What is the SMILES notation for ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate?
The canonical SMILES for ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate is CCOC(=O)/C(=C/c1ccc2c(c1)Cc1ccccc1-2)CC.
What is the InChIKey of ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate?
The InChIKey is LDXGURQUZPUSER-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H20O2/c1-3-15(20(21)22-4-2)11-14-9-10-19-17(12-14)13-16-7-5-6-8-18(16)19/h5-12H,3-4,13H2,1-2H3/b15-11+.
What are the key properties of ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate?
ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate has a molecular weight of 292.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate is sourced from PubChem (CID 124637634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).